
 CHEMBL481153

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.8459   -2.1282   -1.1558 C   0  0  0  0  0
    2.8047   -2.8988   -0.2560 C   0  0  0  0  0
    4.0360   -2.0136   -0.1355 C   0  0  0  0  0
    3.9657   -1.1633   -1.3280 N   0  0  0  0  0
    2.5503   -0.8135   -1.4546 C   0  0  0  0  0
    4.8522    0.0063   -1.2101 C   0  0  0  0  0
    4.8975    0.8958   -2.4686 C   0  0  0  0  0
    5.3219    0.1729   -3.6374 O   0  0  0  0  0
    6.6536   -0.1295   -3.7121 C   0  0  0  0  0
    7.4330    0.2945   -2.8601 O   0  0  0  0  0
    7.0218   -0.8529   -4.8711 N   0  0  0  0  0
    6.0594   -1.3474   -5.8315 C   0  0  0  0  0
    4.7908   -1.7975   -5.4117 C   0  0  0  0  0
    3.8324   -2.2663   -6.3176 C   0  0  0  0  0
    4.1259   -2.3204   -7.6717 C   0  0  0  0  0
    5.3831   -1.9201   -8.1120 C   0  0  0  0  0
    6.3484   -1.4485   -7.2040 C   0  0  0  0  0
    7.9040   -0.9452   -7.8901 S   0  0  0  0  0
    8.9243   -1.1943   -6.4614 C   0  0  0  0  0
   10.2926   -1.4260   -6.6931 C   0  0  0  0  0
   11.1800   -1.5803   -5.6327 C   0  0  0  0  0
   10.7029   -1.5095   -4.3333 C   0  0  0  0  0
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    2.2963   -0.4502   -2.4549 H   0  0  0  0  0
    5.8637   -0.3628   -1.0052 H   0  0  0  0  0
    4.5605    0.6269   -0.3530 H   0  0  0  0  0
    5.5518    1.7610   -2.3042 H   0  0  0  0  0
    3.9044    1.3024   -2.6866 H   0  0  0  0  0
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    3.3867   -2.6819   -8.3814 H   0  0  0  0  0
    5.6098   -1.9774   -9.1750 H   0  0  0  0  0
   10.6766   -1.4803   -7.7099 H   0  0  0  0  0
   12.2356   -1.7549   -5.8214 H   0  0  0  0  0
   11.3808   -1.6358   -3.4927 H   0  0  0  0  0
    9.0210   -1.2769   -3.0615 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
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  2  3  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL481153

>  <PubChem CID>
24841480

>  <Formula>
C19H20N2O2S

>  <Molecular Weight>
340.441000

>  <IUPAC Name>
2-pyrrolidin-1-ylethyl phenothiazine-10-carboxylate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCOC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

>  <Isomeric SMILES>
C1CCN(C1)CCOC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

>  <InChI Std. ID>
InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2

>  <InChI Key>
CJGNMVAAMQAWEF-UHFFFAOYSA-N

