General Information of the Compound
| Compound ID |
CP0136911
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| Compound Name |
N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-(propan-2-ylamino)benzamide
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| Structure |
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| Formula |
C33H47N5O4
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| Molecular Weight |
577.77
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| Canonical SMILES |
CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
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| InChI |
InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1
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| InChIKey |
SNDQIKFTGSEGEF-KEPSJGTLSA-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