General Information of the Compound
| Compound ID |
CP0658395
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| Compound Name |
(R)-3-(1H-Indol-3-yl)-2-[3-(4-methoxyphenyl)ureido]-N-[[1-(5-methoxy-2-pyridinyl)cyclohexyl]methyl]propanamide
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| Structure |
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| Formula |
C32H37N5O4
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| Molecular Weight |
555.679
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccc(OC)cn3)CCCCC2)cc1
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| InChI |
InChI=1S/C32H37N5O4/c1-40-24-12-10-23(11-13-24)36-31(39)37-28(18-22-19-33-27-9-5-4-8-26(22)27)30(38)35-21-32(16-6-3-7-17-32)29-15-14-25(41-2)20-34-29/h4-5,8-15,19-20,28,33H,3,6-7,16-18,21H2,1-2H3,(H,35,38)(H2,36,37,39)/t28-/m1/s1
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| InChIKey |
JAXBSUHCBCRGPW-MUUNZHRXSA-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