General Information of the Compound
| Compound ID |
CP0526241
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| Compound Name |
(S)-6-(4-chlorophenyl)-2-(6-(3-(pyrrolidin-1-ylamino)pyrrolidin-1-yl)pyridin-3-yl)phthalazin-1(2H)-one
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| Structure |
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| Formula |
C27H27ClN6O
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| Molecular Weight |
487.007
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc2c(cnn(-c3ccc(nc3)N3CC[C@@H](C3)NN3CCCC3)c2=O)c1
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| InChI |
InChI=1S/C27H27ClN6O/c28-22-6-3-19(4-7-22)20-5-9-25-21(15-20)16-30-34(27(25)35)24-8-10-26(29-17-24)32-14-11-23(18-32)31-33-12-1-2-13-33/h3-10,15-17,23,31H,1-2,11-14,18H2/t23-/m0/s1
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| InChIKey |
KCUDWRRMPLPHLB-QHCPKHFHSA-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