
 CHEMBL598516

 53 57  0  0  0  0  0  0  0  0999 V2000
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    5.3112    1.7237    1.0753 C   0  0  0  0  0
    6.0260    1.9802    2.2475 C   0  0  0  0  0
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    7.0637    1.2869    4.2946 N   0  0  0  0  0
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   -0.1835   -0.5190   -1.2385 H   0  0  0  0  0
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    2.3014    0.2842   -2.6135 H   0  0  0  0  0
    1.2248   -1.0463   -3.0043 H   0  0  0  0  0
    3.1960   -2.6657   -2.6433 H   0  0  0  0  0
    3.0813   -1.6830   -4.0881 H   0  0  0  0  0
    5.2871   -2.1283   -4.6003 H   0  0  0  0  0
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    3.6716    1.0664   -0.8632 H   0  0  0  0  0
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    6.3456    2.9998    2.4460 H   0  0  0  0  0
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    8.9021    1.9445    6.0208 H   0  0  0  0  0
    6.5333    1.0144    7.8364 H   0  0  0  0  0
    7.6906    2.3777    8.1827 H   0  0  0  0  0
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    8.4513   -0.6000    7.7311 H   0  0  0  0  0
    9.0988   -0.1153   -3.3500 H   0  0  0  0  0
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  5  6  2  0  0  0
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  7  8  2  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL598516

>  <PubChem CID>
11315462

>  <Formula>
C23H25ClN2O2

>  <Molecular Weight>
396.915000

>  <IUPAC Name>
N-[(6aS,13bR)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-3-yl]cyclopropanecarboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC2=CC(=C(C=C2C3C1CCC4=C3C=CC(=C4)NC(=O)C5CC5)O)Cl

>  <Isomeric SMILES>
CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=C3C=CC(=C4)NC(=O)C5CC5)O)Cl

>  <InChI Std. ID>
InChI=1S/C23H25ClN2O2/c1-26-9-8-15-11-19(24)21(27)12-18(15)22-17-6-5-16(25-23(28)13-2-3-13)10-14(17)4-7-20(22)26/h5-6,10-13,20,22,27H,2-4,7-9H2,1H3,(H,25,28)/t20-,22+/m0/s1

>  <InChI Key>
AIYWSFMMSLVJNW-RBBKRZOGSA-N

