
 SCHEMBL2682038

 69 74  0  0  0  0  0  0  0  0999 V2000
    7.6766   -3.3545    6.7521 C   0  0  0  0  0
    6.5589   -2.4232    6.3117 C   0  0  0  0  0
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   12.6719    0.4325   -1.7641 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2682038

>  <PubChem CID>
87421997

>  <Formula>
C28H33ClN4O2S

>  <Molecular Weight>
525.108000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(C1)CCCCNC(=O)C2C3C=CC(C2C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl)C36CC6

>  <Isomeric SMILES>
C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl)C36CC6

>  <InChI Std. ID>
InChI=1S/C28H33ClN4O2S/c29-19-7-5-18(6-8-19)22-17-36-27(31-22)32-26(35)24-21-10-9-20(28(21)11-12-28)23(24)25(34)30-13-1-2-14-33-15-3-4-16-33/h5-10,17,20-21,23-24H,1-4,11-16H2,(H,30,34)(H,31,32,35)/t20-,21+,23-,24-/m1/s1

>  <InChI Key>
BTXHVXZYPFMNGF-CBJLPSGESA-N

