General Information of the Compound
| Compound ID |
CP0381119
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| Compound Name |
(S)-tert-butyl 4-(2-(6-benzyl-4-(cyclopropanecarbonyl)-8-oxo-5,6,7,8-tetrahydropyrazolo[4,3-e][1,4]diazepin-2(4H)-yl)ethyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C29H39N5O4
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| Molecular Weight |
521.662
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCn2cc3N(C[C@H](Cc4ccccc4)NC(=O)c3n2)C(=O)C2CC2)CC1
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| InChI |
InChI=1S/C29H39N5O4/c1-29(2,3)38-28(37)32-14-11-20(12-15-32)13-16-33-19-24-25(31-33)26(35)30-23(17-21-7-5-4-6-8-21)18-34(24)27(36)22-9-10-22/h4-8,19-20,22-23H,9-18H2,1-3H3,(H,30,35)/t23-/m0/s1
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| InChIKey |
QLQPJTFWTGFRKM-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