General Information of the Compound
| Compound ID |
CP0778805
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| Compound Name |
(3S,4S)-3-(6-chloro-1H-indol-3-yl)-2-(4-chlorobenzyl)-N-(2-(4-methylpiperazin-1-yl)ethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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| Structure |
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| Formula |
C32H33Cl2N5O2
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| Molecular Weight |
590.555
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| Canonical SMILES |
CN1CCN(CCNC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2c[nH]c3cc(Cl)ccc23)CC1
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| InChI |
InChI=1S/C32H33Cl2N5O2/c1-37-14-16-38(17-15-37)13-12-35-31(40)29-25-4-2-3-5-26(25)32(41)39(20-21-6-8-22(33)9-7-21)30(29)27-19-36-28-18-23(34)10-11-24(27)28/h2-11,18-19,29-30,36H,12-17,20H2,1H3,(H,35,40)/t29-,30+/m0/s1
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| InChIKey |
STXIATKXBRTSLG-XZWHSSHBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound